#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tot s GLN 2 N 0.00 0.95 0.00 1.61 -0.21 -1.26 -2.24 119.66 118.51 1tot s GLN 2 Ca 0.00 -1.44 0.00 0.00 0.02 0.00 0.00 55.36 53.94 1tot s GLN 2 Cb 0.00 0.05 0.00 0.00 1.00 0.00 0.00 33.01 34.06 1tot s GLN 2 CO 0.00 -0.19 0.00 -3.47 -2.12 0.00 0.00 175.29 169.51 1tot n ASP 3 N -0.12 0.00 -0.02 5.90 2.03 0.40 -4.86 116.55 119.88 1tot n ASP 3 Ca -0.07 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.22 1tot n ASP 3 Cb 0.63 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.01 1tot n ASP 3 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1tot n ARG 4 N 0.00 2.47 0.00 -0.67 3.00 -1.26 -4.76 116.66 115.44 1tot n ARG 4 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 57.85 57.85 1tot n ARG 4 Cb 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 32.46 31.37 1tot n ARG 4 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.63 179.60 1tot n PHE 5 N -2.27 0.00 -4.31 -1.55 -1.74 -1.26 -5.09 117.46 101.25 1tot n PHE 5 Ca -0.06 -0.01 -0.18 0.00 -0.56 0.00 0.00 57.45 56.63 1tot n PHE 5 Cb 0.60 -0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.50 1tot n PHE 5 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 1tot s VAL 6 N -0.03 1.56 0.05 1.97 1.01 -1.26 -4.58 120.40 119.13 1tot s VAL 6 Ca 0.00 -2.06 -0.02 0.00 0.00 0.00 0.00 61.98 59.90 1tot s VAL 6 Cb 0.00 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.49 1tot s VAL 6 CO 0.00 -0.56 0.10 -1.22 0.00 0.00 0.00 175.10 173.42 1tot n TYR 7 N -0.11 -1.09 -4.56 5.22 4.02 -0.18 -0.45 117.16 120.00 1tot n TYR 7 Ca -0.10 -0.26 -0.26 0.00 -0.01 0.00 0.00 57.90 57.27 1tot n TYR 7 Cb 0.59 0.12 -0.11 0.00 -0.02 0.00 0.00 39.34 39.92 1tot n TYR 7 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1tot s THR 8 N -2.82 2.06 -0.38 -0.72 -4.23 -0.95 -0.80 115.64 107.79 1tot s THR 8 Ca 0.02 -2.11 -0.10 0.00 -1.18 0.00 0.00 61.69 58.32 1tot s THR 8 Cb -0.01 -2.79 0.04 0.00 1.34 0.00 0.00 72.50 71.08 1tot s THR 8 CO 0.02 -0.12 0.20 0.00 -0.54 0.00 0.00 174.62 174.19 1tot n ASN 10 N 4.97 0.00 -0.07 0.00 5.15 0.39 0.65 115.26 126.35 1tot n ASN 10 Ca -0.12 -0.13 -0.04 0.00 -0.60 0.00 0.00 54.58 53.69 1tot n ASN 10 Cb 0.45 -0.08 -0.16 0.00 -0.53 0.00 0.00 39.78 39.46 1tot n ASN 10 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1tot n GLU 11 N -1.08 0.68 0.06 1.20 -0.58 -1.24 -4.31 120.64 115.37 1tot n GLU 11 Ca 0.05 -0.04 0.09 0.00 -0.42 0.00 0.00 57.16 56.84 1tot n GLU 11 Cb 0.04 -1.54 -0.05 0.00 -0.57 0.00 0.00 31.44 29.31 1tot n GLU 11 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1tot n LYS 13 N -2.63 -3.03 -4.09 0.00 4.01 0.21 -4.97 118.16 107.66 1tot n LYS 13 Ca -0.03 0.36 -0.07 0.00 -0.51 0.00 0.00 58.31 58.06 1tot n LYS 13 Cb 0.62 -4.64 -0.10 0.00 -0.51 0.00 0.00 35.03 30.40 1tot n LYS 13 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 1tot s HIS 14 N -3.76 0.52 0.38 2.13 2.46 -1.23 -4.98 115.29 110.81 1tot s HIS 14 Ca 0.27 -1.07 -0.24 0.00 0.47 0.00 0.00 55.06 54.49 1tot s HIS 14 Cb -0.15 -0.39 -0.09 0.00 -0.13 0.00 0.00 32.58 31.82 1tot s HIS 14 CO 0.91 -0.38 1.01 -1.01 -2.47 0.00 0.00 174.74 172.80 1tot s HIS 15 N -3.92 3.39 0.22 3.88 3.76 -1.26 -1.17 115.29 120.18 1tot s HIS 15 Ca 0.07 1.68 -0.01 0.00 -0.15 0.00 0.00 55.06 56.65 1tot s HIS 15 Cb 0.08 -3.03 -0.04 0.00 1.11 0.00 0.00 32.58 30.70 1tot s HIS 15 CO -0.10 -0.33 0.16 0.14 -0.85 0.00 0.00 174.74 173.76 1tot s VAL 16 N -1.72 0.00 -0.06 -0.90 -7.23 0.02 -4.84 120.40 105.66 1tot s VAL 16 Ca 0.56 -1.97 0.07 0.00 -1.81 0.00 0.00 61.98 58.83 1tot s VAL 16 Cb -0.19 -2.49 -0.10 0.00 0.56 0.00 0.00 36.38 34.16 1tot s VAL 16 CO 0.24 0.00 0.05 -1.84 -0.31 0.00 0.00 175.10 173.25 1tot n GLU 17 N -0.31 2.32 -4.68 4.82 -0.00 -1.26 -1.02 120.64 120.52 1tot n GLU 17 Ca 0.02 -0.02 -0.24 0.00 -0.00 0.00 0.00 57.16 56.92 1tot n GLU 17 Cb 0.65 -1.19 -0.16 0.00 -0.00 0.00 0.00 31.44 30.75 1tot n GLU 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1tot s THR 18 N -2.25 1.21 0.21 3.84 2.01 -1.26 -3.55 115.64 115.86 1tot s THR 18 Ca -0.04 -0.58 -0.11 0.00 0.31 0.00 0.00 61.69 61.27 1tot s THR 18 Cb 0.03 -1.05 -0.01 0.00 0.01 0.00 0.00 72.50 71.48 1tot s THR 18 CO 0.31 0.36 0.39 0.00 -0.69 0.00 0.00 174.62 174.99 1tot s ARG 19 N 0.17 1.39 -0.11 4.92 1.70 0.05 -4.50 118.95 122.57 1tot s ARG 19 Ca -0.05 -1.23 -0.05 0.00 -0.47 0.00 0.00 55.73 53.93 1tot s ARG 19 Cb -0.11 0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 34.66 1tot s ARG 19 CO 0.02 -0.55 0.07 -1.58 -1.08 0.00 0.00 175.30 172.17 1tot s TRP 20 N -4.00 3.35 -0.05 5.89 0.52 0.34 -1.65 118.94 123.33 1tot s TRP 20 Ca 0.21 0.31 -0.02 0.00 0.02 0.00 0.00 56.10 56.63 1tot s TRP 20 Cb 0.01 -1.89 0.03 0.00 -1.15 0.00 0.00 33.47 30.47 1tot s TRP 20 CO 0.06 0.53 0.04 -1.58 0.02 0.00 0.00 176.95 176.02 1tot s HIS 21 N -0.77 0.32 -0.08 -1.98 5.65 0.10 -0.50 115.29 118.03 1tot s HIS 21 Ca 0.13 0.08 -0.30 0.00 0.25 0.00 0.00 55.06 55.22 1tot s HIS 21 Cb -0.12 -0.62 -0.04 0.00 -1.18 0.00 0.00 32.58 30.62 1tot s HIS 21 CO 0.03 -0.25 1.46 0.00 -0.65 0.00 0.00 174.74 175.33 1tot n THR 23 N 5.24 1.66 -0.08 0.00 -2.24 -1.09 -3.91 114.28 113.87 1tot n THR 23 Ca 0.15 -1.21 -0.08 0.00 -2.27 0.00 0.00 64.05 60.64 1tot n THR 23 Cb 0.44 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.83 1tot n THR 23 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1tot n VAL 24 N 0.98 1.47 -1.53 2.28 3.14 -1.26 -5.01 118.33 118.40 1tot n VAL 24 Ca 0.23 0.17 -0.29 0.00 -2.96 0.00 0.00 64.34 61.49 1tot n VAL 24 Cb 0.80 -2.27 0.17 0.00 -1.06 0.00 0.00 33.84 31.48 1tot n VAL 24 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1tot s GLU 26 N -5.45 3.37 -1.39 0.00 2.02 -1.26 -4.43 118.70 111.56 1tot s GLU 26 Ca 0.68 -1.04 -0.16 0.00 0.02 0.00 0.00 54.97 54.46 1tot s GLU 26 Cb -0.11 -4.67 0.15 0.00 0.10 0.00 0.00 34.13 29.60 1tot s GLU 26 CO 0.54 -1.96 0.50 -3.47 0.02 0.00 0.00 175.26 170.89 1tot n ASP 27 N 7.99 -2.27 -4.77 -0.19 2.03 -1.26 -4.90 116.55 113.18 1tot n ASP 27 Ca 0.14 -0.72 -0.38 0.00 0.52 0.00 0.00 54.79 54.34 1tot n ASP 27 Cb 0.48 -1.95 -0.03 0.00 -0.72 0.00 0.00 41.12 38.91 1tot n ASP 27 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1tot s TYR 28 N -2.96 3.18 0.13 -0.67 6.14 -1.25 -1.31 117.35 120.61 1tot s TYR 28 Ca 0.59 1.60 0.04 0.00 0.64 0.00 0.00 57.07 59.93 1tot s TYR 28 Cb -0.33 -3.31 -0.04 0.00 0.42 0.00 0.00 41.96 38.70 1tot s TYR 28 CO 0.72 -1.04 -0.10 -0.51 0.64 0.00 0.00 175.55 175.27 1tot s ASP 29 N -1.22 1.66 -0.08 4.32 1.01 -1.26 -0.65 116.67 120.45 1tot s ASP 29 Ca 0.56 -0.96 -0.05 0.00 0.71 0.00 0.00 52.55 52.81 1tot s ASP 29 Cb -0.28 0.00 0.03 0.00 1.01 0.00 0.00 42.92 43.68 1tot s ASP 29 CO 0.36 -0.32 0.19 -0.76 0.21 0.00 0.00 175.17 174.85 1tot s LEU 30 N -2.97 0.80 1.06 1.23 1.43 0.35 -0.46 118.68 120.12 1tot s LEU 30 Ca 0.13 0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 53.51 1tot s LEU 30 Cb 0.01 0.57 0.22 0.00 0.03 0.00 0.00 46.19 47.03 1tot s LEU 30 CO -0.00 -0.13 1.07 0.00 0.23 0.00 0.00 176.35 177.52 1tot h ILE 32 N -2.18 0.86 -0.56 0.00 1.08 -1.91 0.16 117.51 114.97 1tot h ILE 32 Ca -0.57 -0.12 -0.11 0.00 -0.39 0.00 0.00 64.86 63.67 1tot h ILE 32 Cb 1.32 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 35.52 1tot h ILE 32 CO 0.53 0.07 -0.07 -1.13 -0.69 0.00 0.00 178.15 176.86 1tot h ASN 33 N 0.36 1.03 -0.25 1.72 -1.24 -1.98 -1.20 115.58 114.02 1tot h ASN 33 Ca 0.22 -0.32 -0.11 0.00 0.71 0.00 0.00 56.30 56.80 1tot h ASN 33 Cb 0.21 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 38.98 1tot h ASN 33 CO -0.21 1.12 -0.29 0.00 -1.29 0.00 0.00 177.43 176.75 1tot h TYR 35 N 0.35 0.32 0.00 0.00 3.20 -0.50 0.24 116.97 120.58 1tot h TYR 35 Ca 0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1tot h TYR 35 Cb 0.86 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.07 1tot h TYR 35 CO 0.08 0.08 0.02 0.09 -1.64 0.00 0.00 178.16 176.79 1tot n ASN 36 N -5.02 0.46 0.00 -2.11 3.02 -0.47 -3.00 115.26 108.13 1tot n ASN 36 Ca 0.07 0.71 0.00 0.00 -0.03 0.00 0.00 54.58 55.33 1tot n ASN 36 Cb 0.24 -0.76 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 1tot n ASN 36 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1tot n THR 37 N -2.13 0.00 0.56 3.41 -2.24 -0.62 -4.77 114.28 108.50 1tot n THR 37 Ca -0.01 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.84 1tot n THR 37 Cb 0.05 -0.48 0.33 0.00 -2.10 0.00 0.00 70.33 68.12 1tot n THR 37 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1tot n LYS 38 N -2.27 0.07 -4.11 -0.78 4.76 0.76 -4.90 118.16 111.68 1tot n LYS 38 Ca 0.00 0.22 -0.32 0.00 -2.87 0.00 0.00 58.31 55.34 1tot n LYS 38 Cb 0.31 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.98 1tot n LYS 38 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1tot n SER 39 N -1.43 -2.11 -4.60 4.39 7.64 -1.16 -4.86 113.62 111.48 1tot n SER 39 Ca 0.05 -1.01 -0.43 0.00 1.01 0.00 0.00 58.87 58.49 1tot n SER 39 Cb 0.15 -2.89 -0.03 0.00 -1.01 0.00 0.00 64.21 60.43 1tot n SER 39 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1tot s HIS 40 N -3.58 1.72 -2.59 1.43 2.46 -1.26 -4.86 115.29 108.61 1tot s HIS 40 Ca 0.43 0.60 0.24 0.00 0.47 0.00 0.00 55.06 56.81 1tot s HIS 40 Cb -0.23 -4.10 0.60 0.00 -0.13 0.00 0.00 32.58 28.71 1tot s HIS 40 CO 0.91 -3.13 1.48 2.41 -2.47 0.00 0.00 174.74 173.95 1tot n THR 41 N 7.45 0.15 -1.98 0.89 -1.04 -1.26 -4.99 114.28 113.50 1tot n THR 41 Ca 0.24 -0.45 -0.28 0.00 -2.04 0.00 0.00 64.05 61.51 1tot n THR 41 Cb 0.46 0.87 0.11 0.00 -1.82 0.00 0.00 70.33 69.95 1tot n THR 41 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1tot s HIS 42 N -1.85 2.64 -0.93 -1.42 3.76 -1.26 -4.94 115.29 111.29 1tot s HIS 42 Ca 0.34 0.58 -0.24 0.00 -0.15 0.00 0.00 55.06 55.59 1tot s HIS 42 Cb 0.20 -3.55 -0.00 0.00 1.11 0.00 0.00 32.58 30.34 1tot s HIS 42 CO 0.30 -1.88 1.70 0.21 -0.85 0.00 0.00 174.74 174.22 1tot s LYS 43 N -5.57 3.04 0.28 1.40 2.20 -1.26 -4.94 119.74 114.88 1tot s LYS 43 Ca 0.64 -0.61 -0.03 0.00 -0.36 0.00 0.00 55.97 55.62 1tot s LYS 43 Cb -0.09 -5.12 0.06 0.00 -1.51 0.00 0.00 37.83 31.16 1tot s LYS 43 CO 0.49 -2.78 0.38 -1.33 -0.36 0.00 0.00 175.35 171.74 1tot n MET 44 N 8.91 -0.01 -4.34 4.03 2.81 -1.26 -2.66 117.12 124.60 1tot n MET 44 Ca 0.34 -0.78 -0.19 0.00 -1.81 0.00 0.00 57.70 55.27 1tot n MET 44 Cb 0.49 -0.33 -0.09 0.00 -0.71 0.00 0.00 33.22 32.58 1tot n MET 44 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1tot s VAL 45 N -1.38 0.38 -0.06 2.03 -7.23 0.65 -4.78 120.40 110.01 1tot s VAL 45 Ca 0.23 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.36 1tot s VAL 45 Cb -0.01 -2.53 0.03 0.00 0.56 0.00 0.00 36.38 34.43 1tot s VAL 45 CO 0.16 0.00 0.15 -0.75 -0.31 0.00 0.00 175.10 174.35 1tot s LYS 46 N -3.85 0.14 -0.06 4.82 2.36 -1.26 -0.73 119.74 121.16 1tot s LYS 46 Ca 0.36 0.30 0.03 0.00 -2.55 0.00 0.00 55.97 54.11 1tot s LYS 46 Cb 0.05 -0.05 0.01 0.00 -1.05 0.00 0.00 37.83 36.79 1tot s LYS 46 CO 0.17 -0.10 -0.14 -1.58 1.55 0.00 0.00 175.35 175.25 1tot s TRP 47 N 0.65 1.60 -0.06 4.03 0.52 -0.66 -5.01 118.94 120.01 1tot s TRP 47 Ca -0.05 -0.58 -0.04 0.00 0.02 0.00 0.00 56.10 55.46 1tot s TRP 47 Cb -0.06 -1.14 0.03 0.00 -1.15 0.00 0.00 33.47 31.15 1tot s TRP 47 CO -0.03 -0.27 0.14 0.20 0.02 0.00 0.00 176.95 177.01 1tot s GLY 48 N 0.53 -0.06 0.00 0.98 0.00 -1.26 -0.77 107.32 106.73 1tot s GLY 48 Ca -0.13 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.14 1tot s GLY 48 CO 0.04 0.70 0.22 1.04 0.00 0.00 0.00 173.10 175.10 1tot n LEU 49 N 3.67 0.43 0.00 0.66 7.99 -1.23 -4.98 117.00 123.54 1tot n LEU 49 Ca -0.20 -0.53 0.00 0.00 -0.01 0.00 0.00 56.01 55.26 1tot n LEU 49 Cb 0.55 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.86 1tot n LEU 49 CO 0.20 0.11 0.00 0.61 -1.51 0.00 0.00 177.39 176.79 1tot n GLY 50 N 0.20 0.08 2.78 -0.72 0.00 -1.26 -5.00 105.19 101.27 1tot n GLY 50 Ca 0.00 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 1tot n GLY 50 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tot s LEU 51 N -2.10 3.85 0.00 0.99 1.43 -1.26 -5.10 118.68 116.49 1tot s LEU 51 Ca 0.00 -3.46 0.00 0.00 -1.03 0.00 0.00 54.13 49.64 1tot s LEU 51 Cb 0.00 -1.33 0.00 0.00 0.03 0.00 0.00 46.19 44.89 1tot s LEU 51 CO 0.00 -0.14 0.42 -0.67 0.23 0.00 0.00 176.35 176.19